8-[(3R)-3-azanylpiperidin-1-yl]-7-[(E)-but-1-enyl]-3-methyl-1-phenacyl-purine-2,6-dione

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-[(E)-but-1-enyl]-3-methyl-1-phenacyl-purine-2,6-dione Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-[(E)-but-1-enyl]-3-methyl-1-phenacyl-purine-2,6-dione CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-[(E)-but-1-enyl]-3-methyl-1-phenacylpurine-2,6-dione IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-[(E)-but-1-enyl]-3-methyl-1-phenacylpurine-2,6-dione Traditional Name: 8-[(3R)-3-aminopiperidino]-7-[(E)-but-1-enyl]-3-methyl-1-phenacyl-xanthine Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC/C=C/N1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C23H28N6O3/c1-3-4-13-28-19-20(25-22(28)27-12-8-11-17(24)14-27)26(2)23(32)29(21(19)31)15-18(30)16-9-6-5-7-10-16/h4-7,9-10,13,17H,3,8,11-12,14-15,24H2,1-2H3/b13-4+/t17-/m1/s1